Geometry & MOs

Info

ID:	227992
PubChem CID:	87563192
Reduced:	SiO2C17H33 (1)
Stoich.:	AB2C17D33 (1)
Weight, g/mol:	291.089543
ΔH_f, kcal/mol:	-162.04
Dipole, Da:	1.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757095
Charge, e:	0

Chem-info

IUPAC name:

4-anthracen-9-yl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(CC)C[Si](OC)O/C=C/C1CCCCC1

DOS

IR

Vibrations